SCHEMBL5160741

SCHEMBL5160741

CCC(O)(Cc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.48
CYP1A2 P05177 2/20 0.48
ALDH1A1 P00352 5/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.42
KCNJ1 P48048 1/20 0.41
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
CES1 P23141 1/20 0.41
MAOB P27338 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5160750 1.00 CYP2C19 (0.48) CYP2C19CYP1A2ALDH1A1POLBTSHR
Hydrochloric Acid SCHEMBL7744795 0.79 CYP2C19 (0.46) CYP2C19CYP1A2ALDH1A1POLBTSHR
Hydrochloric Acid SCHEMBL7744797 0.79 CYP2C19 (0.46) CYP2C19CYP1A2ALDH1A1POLBTSHR
SCHEMBL6667989 0.79 TSHR (0.49) CYP2C19CYP1A2ALDH1A1TSHRLOXL2
SCHEMBL3080086 0.79 TSHR (0.49) CYP2C19CYP1A2ALDH1A1TSHRLOXL2
SCHEMBL9724009 0.78 FDPS (0.46) CYP1A2ALDH1A1POLBTSHRLOXL2
SCHEMBL678471 0.78 TSHR (0.52) CYP2C19CYP1A2ALDH1A1TSHRLOXL2
SCHEMBL5343038 0.78 BLM (0.56) ALDH1A1TSHR
SCHEMBL7908936 0.78 SMN1; SMN2 (0.52) CYP2C19CYP1A2ALDH1A1CES1
SCHEMBL7908766 0.78 SMN1; SMN2 (0.52) CYP2C19CYP1A2ALDH1A1CES1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753716-A1 BASIC SALTS AND MONOHYDRATES OF CERTAIN ALPHA, BETA-PROPRIONIC ACID DERIVATIVE Dr. Reddy's Laboratories Ltd. (IN) 2007-02-21 EP disclosed
WO-2006001795-A1 BASIC SALTS AND MONOHYDRATES OF CERTAIN ALPHA, BETA-PROPRIONIC ACID DERIVATIVE DR. REDDY'S LABORATORIES LIMITED (IN) 2006-01-05 WO disclosed
US-20050277693-A1 Basic salts and monohydrates of certain alpha, beta-propionic acid derivative DR. REDDY'S LABORATORIES LIMITED 2005-12-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050277693-A1 Basic salts and monohydrates of certain alpha, beta-propionic acid derivative SRM, PKD1, CA2 CYP2C19 3621/4885CYP1A2 2951/4885ALDH1A1 1421/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.